6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol

C20H19FN4OS — CID 137245045

IUPAC6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol
SMILESCC(C)(C)Sc1cc2c(Nc3n[nH]c4ccc(F)cc34)ccnc2cc1O
InChIInChI=1S/C20H19FN4OS/c1-20(2,3)27-18-9-12-14(6-7-22-16(12)10-17(18)26)23-19-13-8-11(21)4-5-15(13)24-25-19/h4-10,26H,1-3H3,(H2,22,23,24,25)
InChIKeyHKVLIFMJHUAIPT-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.59
Rot. Bonds3

About 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol

6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol (PubChem CID 137245045) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol.

Molecular Properties

Compound Name6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol
PubChem CID137245045
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol
SMILESCC(C)(C)Sc1cc2c(Nc3n[nH]c4ccc(F)cc34)ccnc2cc1O
InChIInChI=1S/C20H19FN4OS/c1-20(2,3)27-18-9-12-14(6-7-22-16(12)10-17(18)26)23-19-13-8-11(21)4-5-15(13)24-25-19/h4-10,26H,1-3H3,(H2,22,23,24,25)
InChIKeyHKVLIFMJHUAIPT-UHFFFAOYSA-N
XLogP5.59
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol with MolForge

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Related Compounds

N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine
CID 123163102
N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
CID 87388058
3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
CID 110470406
6-tert-butylsulfanyl-N-(3,4-dimethyl-2H-pyrrol-5-yl)-7-methylquinolin-4-amine
CID 158637968
N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine
CID 144534779
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
CID 39850737
3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine
CID 69074655
6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 123807367
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
4-N-(5-fluoro-1H-indazol-3-yl)-2-N-(4-fluoro-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71224884
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol?
The IUPAC name of 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol (CID 137245045) is 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol.
What is the SMILES notation for 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol?
The canonical SMILES for 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol is CC(C)(C)Sc1cc2c(Nc3n[nH]c4ccc(F)cc34)ccnc2cc1O.
What is the InChIKey of 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol?
The InChIKey is HKVLIFMJHUAIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-20(2,3)27-18-9-12-14(6-7-22-16(12)10-17(18)26)23-19-13-8-11(21)4-5-15(13)24-25-19/h4-10,26H,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol?
6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol has a molecular weight of 382.46 g/mol, XLogP of 5.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol is sourced from PubChem (CID 137245045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).